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4-bromo-2-iodo-5-methylaniline

4-bromo-2-iodo-5-methylaniline

CAS: 1609264-62-1

Formula: C7H7BrIN

SMILES: CC1=CC(N)=C(I)C=C1Br

IUPAC: 4-bromo-2-iodo-5-methylaniline

InChI: InChI=1S/C7H7BrIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3

Composition: C (26.95%), H (2.26%), Br (25.61%), I (40.68%), N (4.49%)

Molar Mass: 311.948

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 310.88066
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey COSLUVOCIKOMSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.78
Topological Polar Surface Area 26.02
Polarizability 21.45
Ring Count 1
Rotatable Bond Count 0

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